CID 217042

38044-62-1

Structural Information

Molecular Formula
C27H30N2OS
SMILES
CCN(CCSC(=O)N1C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)CC4=CC=CC=C4
InChI
InChI=1S/C27H30N2OS/c1-4-28(20-21-12-6-5-7-13-21)18-19-31-26(30)29-24-16-10-8-14-22(24)27(2,3)23-15-9-11-17-25(23)29/h5-17H,4,18-20H2,1-3H3
InChIKey
NZDGAAHYCNUPLO-UHFFFAOYSA-N
Compound name
S-[2-[benzyl(ethyl)amino]ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2079 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21518 204.4
[M+Na]+ 453.19712 219.3
[M+NH4]+ 448.24172 215.1
[M+K]+ 469.17106 205.0
[M-H]- 429.20062 211.2
[M+Na-2H]- 451.18257 214.1
[M]+ 430.20735 209.4
[M]- 430.20845 209.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.